(3R)-3-amino-N-[(3S,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide

C18H29N3O — CID 124683430

IUPAC(3R)-3-amino-N-[(3S,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
SMILESCCN1CC[C@H](N(C)C(=O)C[C@@H](N)c2ccccc2)[C@@H](C)C1
InChIInChI=1S/C18H29N3O/c1-4-21-11-10-17(14(2)13-21)20(3)18(22)12-16(19)15-8-6-5-7-9-15/h5-9,14,16-17H,4,10-13,19H2,1-3H3/t14-,16+,17-/m0/s1
InChIKeyKWQDCMHAIUAIRC-UAGQMJEPSA-N
MW303.45 g/mol
LogP2.27
Rot. Bonds5

About (3R)-3-amino-N-[(3S,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide

(3R)-3-amino-N-[(3S,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide (PubChem CID 124683430) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is (3R)-3-amino-N-[(3S,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-amino-N-[(3S,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
PubChem CID124683430
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name(3R)-3-amino-N-[(3S,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
SMILESCCN1CC[C@H](N(C)C(=O)C[C@@H](N)c2ccccc2)[C@@H](C)C1
InChIInChI=1S/C18H29N3O/c1-4-21-11-10-17(14(2)13-21)20(3)18(22)12-16(19)15-8-6-5-7-9-15/h5-9,14,16-17H,4,10-13,19H2,1-3H3/t14-,16+,17-/m0/s1
InChIKeyKWQDCMHAIUAIRC-UAGQMJEPSA-N
XLogP2.27
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide
CID 124730164
1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 166198840
N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119893449
N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide
CID 125145982
3-amino-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 119952577
3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950260
3-[3-[[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]-3-oxopropyl]-N-methylbenzamide
CID 97239927
(3S)-3-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 125120935
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide
CID 43296719
3-amino-N-ethyl-N-methyl-3-phenylpropanamide
CID 43263469
1-[(2S)-2-amino-2-phenylethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 112736995

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-[(3S,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide?
The IUPAC name of (3R)-3-amino-N-[(3S,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide (CID 124683430) is (3R)-3-amino-N-[(3S,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-amino-N-[(3S,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for (3R)-3-amino-N-[(3S,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide is CCN1CC[C@H](N(C)C(=O)C[C@@H](N)c2ccccc2)[C@@H](C)C1.
What is the InChIKey of (3R)-3-amino-N-[(3S,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide?
The InChIKey is KWQDCMHAIUAIRC-UAGQMJEPSA-N. The full InChI is InChI=1S/C18H29N3O/c1-4-21-11-10-17(14(2)13-21)20(3)18(22)12-16(19)15-8-6-5-7-9-15/h5-9,14,16-17H,4,10-13,19H2,1-3H3/t14-,16+,17-/m0/s1.
What are the key properties of (3R)-3-amino-N-[(3S,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide?
(3R)-3-amino-N-[(3S,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide has a molecular weight of 303.45 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-[(3S,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 124683430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).